SCHEMBL5048611

SCHEMBL5048611

CC(C)(C)C([C@H]1CCCN1CCCOc1ccc2c(Nc3cnn(CC(=O)Nc4cccc(F)c4)c3)ncnc2c1)C(C)(C)C

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AURKA O14965 10/20 0.63
PDGFRB P09619 4/20 0.56
FLT4 P35916 3/20 0.56
FLT3 P36888 3/20 0.56
KDR P35968 5/20 0.51
KIT P10721 3/20 0.51
PDGFRA P16234 2/20 0.51
CSF1R P07333 1/20 0.51
CDK1 P06493 1/20 0.50
FLT1 P17948 1/20 0.50
CYP3A4 P08684 1/20 0.48
AURKB Q96GD4 6/20 0.47
EGFR P00533 1/20 0.43
BRAF P15056 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5132487 0.90 AURKA (0.67) AURKAPDGFRBFLT4FLT3KDR
SCHEMBL5048606 0.89 AURKA (0.64) AURKAPDGFRBFLT4FLT3KDR
SCHEMBL5132484 0.89 AURKA (0.67) AURKAPDGFRBFLT4FLT3KDR
SCHEMBL3432058 0.89 AURKA (0.79) AURKAPDGFRBFLT4FLT3KDR
SCHEMBL2053172 0.85 AURKA (0.69) AURKAPDGFRBFLT4FLT3KDR
SCHEMBL3424557 0.85 AURKA (0.66) AURKAPDGFRBFLT4FLT3KDR
SCHEMBL3490956 0.84 AURKA (0.80) AURKAPDGFRBFLT4FLT3KDR
SCHEMBL3489920 0.84 AURKA (0.80) AURKAPDGFRBFLT4FLT3KDR
SCHEMBL3429579 0.83 AURKA (0.58) AURKAPDGFRBFLT4FLT3KDR
SCHEMBL2053420 0.83 AURKA (0.64) AURKAPDGFRBFLT4FLT3KDR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1635837-B1 (3-((QUINAZOLIN-4-YL)AMINO)-1H-PYRAZOL-1-YL)ACETAMIDE DERIVATIVES AND RELATED COMPOUNDS AS AURORA KINASE INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISEASES SUCH AS CANCER ASTRAZENECA AB (SE) 2008-07-16 EP disclosed
EP-1635837-A1 (3-((QUINAZOLIN-4-YL)AMINO)-1H-PYRAZOL-1-YL)ACETAMIDE DERIVATIVES AND RELATED COMPOUNDS AS AURORA KINASE INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISEASES SUCH AS CANCER AstraZeneca AB (SE) 2006-03-22 EP disclosed
WO-2004105764-A1 (3- ((QUINAZOLIN-4-YL) AMINO )-1H-PYRAZOL-1-YL) ACETAMIDE DERIVATIVES AND RELATED COMPOUNDS AS AURORA KINASE INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISEASES SUCH AS CANCER ASTRAZENECA AB (SE) 2004-12-09 WO disclosed